NdHo3C2
Alexandria ALEXAlex-ID: agm005698339 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_243_spg166
Ho2C Ho4C5 Nd
2023-08-07 09:40:30.869354
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698339).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005698339
data_agm005698339
_cell_length_a 13.12521
_cell_length_b 13.12521
_cell_length_c 7.49103
_cell_angle_alpha 28.81991
_cell_angle_beta 28.81990
_cell_angle_gamma 31.92074
_cell_volume 280.99893
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Nd1 Nd 0.24620 0.24620 0.25381 1.00000
Nd2 Nd 0.75380 0.75380 0.74619 1.00000
Ho1 Ho 0.26168 0.76569 0.73416 1.00000
Ho2 Ho 0.76569 0.26168 0.73416 1.00000
Ho3 Ho 0.26175 0.26175 0.74195 1.00000
Ho4 Ho 0.23431 0.73832 0.26584 1.00000
Ho5 Ho 0.73832 0.23431 0.26584 1.00000
Ho6 Ho 0.73825 0.73825 0.25805 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
C2 C 0.50000 0.00000 0.00000 1.00000
C3 C 0.50000 0.50000 0.00000 1.00000
C4 C 0.00000 0.50000 0.00000 1.00000
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